2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]ethanamide Openeye Name: 2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-[4-(2-ketopyrrolidino)benzyl]acetamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)CC3C(=O)NCC[NH+]3CCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)C[C@@H]3C(=O)NCC[NH+]3CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c30-23(27-18-20-8-10-21(11-9-20)29-14-4-7-24(29)31)17-22-25(32)26-13-16-28(22)15-12-19-5-2-1-3-6-19/h1-3,5-6,8-11,22H,4,7,12-18H2,(H,26,32)(H,27,30)/p+1/t22-/m1/s1